Quintozene（PCNB） - ≥95% , CAS No.82-68-8

CAS: 82-68-8 Cat. No.: Q108787 분자식: C₆Cl₅NO₂ 분자량: 295.33 Beilstein Registry Number: 1914324 EC 번호: 201-435-0

GRADE & PURITY ≥95%

Synonyms

PCNB | Pentachloronitrobenzol | Quintozene [BSI:ISO] | Brassicol super | Marisan forte | PCNB | PCNB, quintozene | Quintozene | QUINTOZENE [IARC] | Quintozene 100 microg/mL in Cyclohexane | NSC58427 | NSC-58427 | Quintocene | Quintozine | Trim (Salt/Mix)

Storage

Room temperature,Desiccated

Shipped In

FedEx DG Service

Specifications

동의어

PCNB | Pentachloronitrobenzol | Quintozene [BSI:ISO] | Brassicol super | Marisan forte | PCNB | PCNB, quintozene | Quintozene | QUINTOZENE [IARC] | Quintozene 100 microg/mL in Cyclohexane | NSC58427 | NSC-58427 | Quintocene | Quintozine | Trim (Salt/Mix)

사양 및 순도

≥95%

보관 조건

Room temperature,Desiccated

배송

FedEx DG Service

순수함

≥95%

이름과 식별자

• Pubchem Sid: 488180139
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180139
• 정식 스마일: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
• IUPAC Name: 1,2,3,4,5-pentachloro-6-nitrobenzene
• InChIKey: LKPLKUMXSAEKID-UHFFFAOYSA-N
• INCHI: 1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
• 이성체 SMILES: C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[N+](=O)[O-]
• WGK 독일: 2
• UN 번호: 3077
• 포장 그룹: III
• 분자량: 295.33
• Beilstein: 1914324
• Reaxy-Rn: 1914324
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1914324&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Nitroaromatic compounds Chlorobenzenes Aryl chlorides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzene - Nitroaromatic compound - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
• External Descriptors: Organochlorine fungicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

Discover Target: THRB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Lymphoblastoid cell (5959 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Trichoderma viride (1263 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Colletotrichum fragariae (147 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Coniophora puteana (8 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Sporotrichum (7 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 328°C
• 녹는점(°C): 146°C
• 분자량: 295.300 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 294.834 Da
• Monoisotopic Mass: 292.837 Da
• Topological Polar Surface Area: 45.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 219.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

참고 문헌

1. Hao Zhu, Wendi Cao, Yicai Huang, Niel A. Karrow, Zhangping Yang.  (2023)  Involvement of Pyocyanin in Promoting LPS-Induced Apoptosis, Inflammation, and Oxidative Stress in Bovine Mammary Epithelium Cells.  Agriculture-Basel,  13  (12): (2192).  [PMID:] [10.3390/agriculture13122192]

2. Shuang Gao, Lei Zong, Yuhang Zhang, Yang Zhang, Xinyu Guo, Guanhua Guo, Lixia Zhao, Fei Ye, Ying Fu.  (2023)  Antifungal pentachloronitrobenzene/hydroxypropyl-beta-cyclodextrin inclusion complex nanofibers by electrospun with no polymer: Fabrication and characterization.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.137499]

3. Guoqiang Fan, Tianzhu Shen, Kun Jia, Xiaoping Xiao, Zhanfeng Wu, Fanghua Gong, Huiqiang Lu.  (2022)  Pentachloronitrobenzene Reduces the Proliferative Capacity of Zebrafish Embryonic Cardiomyocytes via Oxidative Stress.  Toxics,  10  (6): (299).  [PMID:35736907] [10.3390/toxics10060299]

4. Jing Neng, Caiping Liao, Yazhi Wang, Yan Wang, Kai Yang.  (2022)  Rapid and Sensitive Detection of Pentachloronitrobenzene by Surface-Enhanced Raman Spectroscopy Combined with Molecularly Imprinted Polymers.  Biosensors-Basel,  12  (2): (52).  [PMID:35200313] [10.3390/bios12020052]

5. Jianping Ye, Qing Zhou, Zhihong Yan, Kang Li.  (2021)  Preparation of multicolor luminescence Schiff-base compound based on solvent control and its application in the detection of pentachloronitrobenzene.  ANALYTICA CHIMICA ACTA,      [PMID:34482876] [10.1016/j.aca.2021.338794]

6. Xinyue Zhao, Xiaomeng Zhang, Mingwei Qin, Yuzhu Song, Jinyang Zhang, Xueshan Xia, Xiuming Cui, Kai Gao, Qinqin Han.  (2020)  Determination of carbendazim by aptamer-based fluorescence resonance energy transfer (FRET).  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2020.1849250]

7. Qingju Liu, Ping Han, Hui Wang, Wenwen Gong, Xiaoyuan Feng.  (2019)  Antibody-free colorimetric detection of chlorothalonil in cucumber via the inhibition of an enzyme-triggered reaction.  RSC Advances,  9  (18): (9893-9898).  [PMID:35520916] [10.1039/C9RA00291J]

8. Bin Shu, Zhaoguang Yang, Hsiaowan Lee, Bo Qiu, Haipu Li.  (2015)  Development of ultrasound-assisted emulsification microextraction based on solidification of a floating organic droplet for determination of organochlorine pesticides in water samples.  JOURNAL OF SEPARATION SCIENCE,  39  (4): (776-783).  [PMID:26631905] [10.1002/jssc.201501002]

9. Ying Wang, Siqi Li, Jing Sun, Yufang Li, Yan Hu, Chuanpu Shen, Feilong Liu, Shiwen Guo, Feiran Chen, Qiangjian Liu, Jingjing Ma, Fucai Ren, Furong Yang, Qunlin Zhang, Jingyuan Song, Tianyi Xin, Xiangdong Pu.  (2024)  Comprehensive assessment for species authenticity, pesticide residual, and fungal contamination characteristics of Panax herbal tea.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2024.116688]

10. Yi Ma, Xiaofang Liu, Jia Zheng, Mengxia Huang, Jingzhou Hou, Huibo Luo, Changjun Hou, Danqun Huo.  (2024)  Detection of organophosphorus pesticides by a fluorescent sensing assay coupled with enzyme inhibition.  JOURNAL OF FOOD COMPOSITION AND ANALYSIS,      [PMID:] [10.1016/j.jfca.2024.106139]

11. Xiang Shen, Zheshan Duan, Xike Tian, Hongtao Zheng, Dongsheng Wang, Xubo Gao.  (2025)  The vertical distribution, sources and ecological risks of residual organochlorine pesticides in sediments of the North China's largest freshwater lake.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:41240894] [10.1016/j.scitotenv.2025.180881]

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 82-68-8, the molecular formula is C6Cl5NO2, and the molecular weight is 295.33 g/mol. InChIKey LKPLKUMXSAEKID-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.